10942334 1 2 3 4 5 6 11 8 6 1 1 1 1 1 2 -1 1 2 3 3 3 2 3 4 5 6 7 1 1 1 1 1 5 255 1 2 3 4 5 6 2 2.866 3.732 4.042 4.269 3.422 0.25 -0.25 0.25 -0.2869 0.56 0.7869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000020200000000000000000000000000000000000000000000000000000000000000012000000000000000000020200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;methanolate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3O.Na/c1-2;/h1H3;/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WQDUMFSSJAZKTM-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 54.00815900 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3NaO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 54.024 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[O-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 54.00815900 3 0 0 0 0 0 0 0 2 -1